methyl (2S)-3-[4-oxidanyl-3-(1-phenylprop-2-enyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[4-oxidanyl-3-(1-phenylprop-2-enyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[4-hydroxy-3-(1-phenylallyl)phenyl]propanoate CAS Name: (2S)-3-[4-hydroxy-3-(1-phenylprop-2-enyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-hydroxy-3-(1-phenylprop-2-enyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-hydroxy-3-(1-phenylallyl)phenyl]propionic acid methyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)C(C=C)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)O)C(C=C)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO5/c1-3-22(21-12-8-5-9-13-21)23-16-20(14-15-25(23)29)17-24(26(30)32-2)28-27(31)33-18-19-10-6-4-7-11-19/h3-16,22,24,29H,1,17-18H2,2H3,(H,28,31)/t22?,24-/m0/s1